[3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate

C129H104N14O19 — CID 88912432

IUPAC[3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate
SMILESCN(C(=O)Nc1ccc(Cc2ccc(NC(=O)Oc3cccc(N(C(=O)Nc4ccc(Cc5ccc(NC(=O)Oc6cccc(N(C(=O)Nc7ccc(Cc8ccc(O)cc8)cc7)c7cccc(O)c7)c6)cc5)cc4)c4cccc(O)c4)c3)cc2)cc1)c1cccc(OC(=O)Nc2ccc(Cc3ccc(NC(=O)N(c4cccc(O)c4)c4cccc(OC(=O)Nc5ccc(Cc6ccc(NC(=O)N(c7cccc(O)c7)c7cccc(O)c7)cc6)cc5)c4)cc3)cc2)c1
InChIInChI=1S/C129H104N14O19/c1-139(102-11-7-25-117(79-102)159-126(155)135-98-59-39-89(40-60-98)71-85-33-53-95(54-34-85)132-123(152)142(106-15-5-23-115(148)77-106)109-18-9-27-119(81-109)161-128(157)137-100-63-43-90(44-64-100)70-84-31-51-94(52-32-84)131-122(151)140(103-12-2-20-112(145)74-103)104-13-3-21-113(146)75-104)121(150)130-93-49-29-83(30-50-93)69-88-41-61-99(62-42-88)136-127(156)160-118-26-8-17-108(80-118)141(105-14-4-22-114(147)76-105)124(153)133-96-55-35-86(36-56-96)72-91-45-65-101(66-46-91)138-129(158)162-120-28-10-19-110(82-120)143(107-16-6-24-116(149)78-107)125(154)134-97-57-37-87(38-58-97)73-92-47-67-111(144)68-48-92/h2-68,74-82,144-149H,69-73H2,1H3,(H,130,150)(H,131,151)(H,132,152)(H,133,153)(H,134,154)(H,135,155)(H,136,156)(H,137,157)(H,138,158)
InChIKeyUCWCLQMHXIWMLD-UHFFFAOYSA-N
MW2154.33 g/mol
LogP29.47
Rot. Bonds32

About [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate

[3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate (PubChem CID 88912432) has the molecular formula C129H104N14O19 and a molecular weight of 2154.33 g/mol. Its IUPAC name is [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Name[3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate
PubChem CID88912432
Molecular FormulaC129H104N14O19
Molecular Weight2154.33 g/mol
Exact Mass2152.76
IUPAC Name[3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate
SMILESCN(C(=O)Nc1ccc(Cc2ccc(NC(=O)Oc3cccc(N(C(=O)Nc4ccc(Cc5ccc(NC(=O)Oc6cccc(N(C(=O)Nc7ccc(Cc8ccc(O)cc8)cc7)c7cccc(O)c7)c6)cc5)cc4)c4cccc(O)c4)c3)cc2)cc1)c1cccc(OC(=O)Nc2ccc(Cc3ccc(NC(=O)N(c4cccc(O)c4)c4cccc(OC(=O)Nc5ccc(Cc6ccc(NC(=O)N(c7cccc(O)c7)c7cccc(O)c7)cc6)cc5)c4)cc3)cc2)c1
InChIInChI=1S/C129H104N14O19/c1-139(102-11-7-25-117(79-102)159-126(155)135-98-59-39-89(40-60-98)71-85-33-53-95(54-34-85)132-123(152)142(106-15-5-23-115(148)77-106)109-18-9-27-119(81-109)161-128(157)137-100-63-43-90(44-64-100)70-84-31-51-94(52-32-84)131-122(151)140(103-12-2-20-112(145)74-103)104-13-3-21-113(146)75-104)121(150)130-93-49-29-83(30-50-93)69-88-41-61-99(62-42-88)136-127(156)160-118-26-8-17-108(80-118)141(105-14-4-22-114(147)76-105)124(153)133-96-55-35-86(36-56-96)72-91-45-65-101(66-46-91)138-129(158)162-120-28-10-19-110(82-120)143(107-16-6-24-116(149)78-107)125(154)134-97-57-37-87(38-58-97)73-92-47-67-111(144)68-48-92/h2-68,74-82,144-149H,69-73H2,1H3,(H,130,150)(H,131,151)(H,132,152)(H,133,153)(H,134,154)(H,135,155)(H,136,156)(H,137,157)(H,138,158)
InChIKeyUCWCLQMHXIWMLD-UHFFFAOYSA-N
XLogP29.47
TPSA436.40 Ų
H-Bond Donors15
H-Bond Acceptors19
Rotatable Bonds32
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002154.33
LogP ≤ 529.47
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1019

Analyze [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate with MolForge

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Related Compounds

[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenyl] 2-[4-[[4-[[[3-[[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamoyloxy]phenyl]-(3-hydroxyphenyl)carbamoyl]amino]phenyl]methyl]phenyl]acetate
CID 58385625
[3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[(4-methylphenyl)carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate
CID 118485983
(3-methylphenyl) 2-[4-[[4-[[[3-[[4-[[4-[bis[3-[[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamoyloxy]phenyl]carbamoylamino]phenyl]methyl]phenyl]carbamoyloxy]phenyl]-[3-[[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamoyloxy]phenyl]carbamoyl]amino]phenyl]methyl]phenyl]acetate
CID 58385630
[3-[[4-[(4-isocyanatophenyl)methyl]phenyl]carbamoyloxy]phenyl] N-[4-[[4-[(3-hydroxyphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 89308837
1-(3-hydroxyphenyl)-1-methyl-3-propylurea
CID 107734166
3-[4-(aminomethyl)phenyl]-1-methyl-1-phenylurea
CID 43246035
3-(4-ethylphenyl)-1-methyl-1-phenylurea
CID 108991136
N-ethyl-N-[3-(phenylcarbamoyloxy)phenyl]carbamate
CID 23210449
(4-phenylphenyl) N-[4-[[4-[(4-phenylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
CID 67179519
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
3-(4-chlorophenyl)-1-(4-hydroxyphenyl)-1-methylurea
CID 28740219
[3-(methylcarbamoylamino)phenyl] N-(4-methylphenyl)carbamate
CID 134123027

Frequently Asked Questions

What is the IUPAC name of [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate?
The IUPAC name of [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate (CID 88912432) is [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate.
What is the SMILES notation for [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate?
The canonical SMILES for [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate is CN(C(=O)Nc1ccc(Cc2ccc(NC(=O)Oc3cccc(N(C(=O)Nc4ccc(Cc5ccc(NC(=O)Oc6cccc(N(C(=O)Nc7ccc(Cc8ccc(O)cc8)cc7)c7cccc(O)c7)c6)cc5)cc4)c4cccc(O)c4)c3)cc2)cc1)c1cccc(OC(=O)Nc2ccc(Cc3ccc(NC(=O)N(c4cccc(O)c4)c4cccc(OC(=O)Nc5ccc(Cc6ccc(NC(=O)N(c7cccc(O)c7)c7cccc(O)c7)cc6)cc5)c4)cc3)cc2)c1.
What is the InChIKey of [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate?
The InChIKey is UCWCLQMHXIWMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C129H104N14O19/c1-139(102-11-7-25-117(79-102)159-126(155)135-98-59-39-89(40-60-98)71-85-33-53-95(54-34-85)132-123(152)142(106-15-5-23-115(148)77-106)109-18-9-27-119(81-109)161-128(157)137-100-63-43-90(44-64-100)70-84-31-51-94(52-32-84)131-122(151)140(103-12-2-20-112(145)74-103)104-13-3-21-113(146)75-104)121(150)130-93-49-29-83(30-50-93)69-88-41-61-99(62-42-88)136-127(156)160-118-26-8-17-108(80-118)141(105-14-4-22-114(147)76-105)124(153)133-96-55-35-86(36-56-96)72-91-45-65-101(66-46-91)138-129(158)162-120-28-10-19-110(82-120)143(107-16-6-24-116(149)78-107)125(154)134-97-57-37-87(38-58-97)73-92-47-67-111(144)68-48-92/h2-68,74-82,144-149H,69-73H2,1H3,(H,130,150)(H,131,151)(H,132,152)(H,133,153)(H,134,154)(H,135,155)(H,136,156)(H,137,157)(H,138,158).
What are the key properties of [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate?
[3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate has a molecular weight of 2154.33 g/mol, XLogP of 29.47, 32 rotatable bonds, 15 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-hydroxy-N-[[4-[[4-[[3-[[4-[[4-[[3-[3-hydroxy-N-[[4-[[4-[[3-[3-hydroxy-N-[[4-[(4-hydroxyphenyl)methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl-methylamino]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamoyl]anilino]phenyl] N-[4-[[4-[bis(3-hydroxyphenyl)carbamoylamino]phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 88912432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).